SCHEMBL15914403

SCHEMBL15914403

COC(=O)C(Cc1ccc(OCCN)cc1)=C(C(=O)OC)[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
PDE4A P27815 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
ACACB O00763 3/20 0.35
LTA4H P09960 3/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
EPHX2 P34913 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15914401 1.00 CYP2D6 (0.36) CYP2D6KDM4ECYP1A2PDE4ASMN1; SMN2
SCHEMBL15914400 1.00 CYP2D6 (0.36) CYP2D6KDM4ECYP1A2PDE4ASMN1; SMN2
SCHEMBL15914402 1.00 CYP2D6 (0.36) CYP2D6KDM4ECYP1A2PDE4ASMN1; SMN2
SCHEMBL15914361 0.83 LTA4H (0.40) CYP2D6MEN1KMT2AALDH1A1RAB9A
SCHEMBL15914362 0.83 LTA4H (0.40) CYP2D6MEN1KMT2AALDH1A1RAB9A
SCHEMBL14672244 0.83 LTA4H (0.40) CYP2D6MEN1KMT2AALDH1A1RAB9A
SCHEMBL15914360 0.83 LTA4H (0.40) CYP2D6MEN1KMT2AALDH1A1RAB9A
SCHEMBL15751312 0.82 LTA4H (0.39) CYP2D6MEN1KMT2AALDH1A1RAB9A
SCHEMBL15751313 0.81 LTA4H (0.35) CYP2D6KDM4ECYP1A2PDE4ASMN1; SMN2
SCHEMBL15751314 0.81 LTA4H (0.35) CYP2D6KDM4ECYP1A2PDE4ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CYP2D6 810/4885KDM4E 1682/4885CYP1A2 1167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.